<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3886</id>
  <title>T3D3831</title>
  <common-name>Emamectin benzoate</common-name>
  <description>Emamectin benzoate (Proclaim) is an avermectin class insecticide developed for the control of lepidopteron insects. This class of pesticide consists of homologous semi-synthetic macrolides that are derived from the natural fermentation products of Streptomyces bacteria. It kills insects by disrupting neurotransmitters, causing irreversible paralysis. It is more effective when ingested, but it also somewhat effective on contact. When sprayed to foliage, emamectin benzoate penetrates the leaf tissue and forms reservoir within treated leaves, which provides residual activity against pests that ingest the substance when feeding. Emamectin is widely used in the US and Canada as an insecticide because of its chloride channel activation properties. It is approved by the EPA for use in prevention of emerald ash borer in ash trees. Emamectin has also shown promising applications in the eradication of fish lice and in fish farming.</description>
  <cas>155569-91-8</cas>
  <pubchem-id>11650986</pubchem-id>
  <chemical-formula>C56H81NO15</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:51Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[O-]C(=O)C1=CC=CC=C1.[H][C@](C)(CC)[C@@]1([H])O[C@@]2(C[C@@H]3C[C@@]([H])(C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@]5([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O3)[C@]45O)O2)C=C[C@@H]1C</moldb-smiles>
  <moldb-formula>C56H81NO15</moldb-formula>
  <moldb-inchi>InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1</moldb-inchi>
  <moldb-inchikey>InChIKey=GCKZANITAMOIAR-XWVCPFKXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1008.24</moldb-average-mass>
  <moldb-mono-mass type="decimal">1007.560620927</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1883852</chembl-id>
  <chemspider-id>17215886</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
